iron(4+);tetrakis(piperidin-1-ide)

C20H40FeN4 — CID 54611926

IUPACiron(4+);tetrakis(piperidin-1-ide)
SMILESC1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.[Fe+4]
InChIInChI=1S/4C5H10N.Fe/c4*1-2-4-6-5-3-1;/h4*1-5H2;/q4*-1;+4
InChIKeyNCQVIAZVAKTLLA-UHFFFAOYSA-N
MW392.41 g/mol
LogP6.17
Rot. Bonds

About iron(4+);tetrakis(piperidin-1-ide)

iron(4+);tetrakis(piperidin-1-ide) (PubChem CID 54611926) has the molecular formula C20H40FeN4 and a molecular weight of 392.41 g/mol. Its IUPAC name is iron(4+);tetrakis(piperidin-1-ide).

Molecular Properties

Compound Nameiron(4+);tetrakis(piperidin-1-ide)
PubChem CID54611926
Molecular FormulaC20H40FeN4
Molecular Weight392.41 g/mol
Exact Mass392.26
IUPAC Nameiron(4+);tetrakis(piperidin-1-ide)
SMILESC1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.[Fe+4]
InChIInChI=1S/4C5H10N.Fe/c4*1-2-4-6-5-3-1;/h4*1-5H2;/q4*-1;+4
InChIKeyNCQVIAZVAKTLLA-UHFFFAOYSA-N
XLogP6.17
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

iron(3+);piperidin-1-ide
CID 150983339
lithium azanidacycloheptane
CID 11105324
molybdenum(2+);piperidin-1-ide;pyrrolidin-1-ide
CID 151025303
azanidacycloheptane;tungsten
CID 156681038
carbanide;piperidin-1-ide;titanium(3+)
CID 20687678
bis(piperidin-1-ide);trichlororhodium
CID 54604493
difluorozirconium(2+);bis(piperidin-1-ide)
CID 173243334
nickel(2+);1,4,8,11-tetrazanidacyclopentadecane
CID 50896977
cobalt;bis(piperidin-1-ide);diisothiocyanate
CID 54610742
carbon monoxide;chromium(6+);pyrrolidin-1-ide
CID 4210612
zinc;tetrakis(piperidin-1-ide);thiocyanic acid
CID 54605103
CID 6329161
CID 6329161

Frequently Asked Questions

What is the IUPAC name of iron(4+);tetrakis(piperidin-1-ide)?
The IUPAC name of iron(4+);tetrakis(piperidin-1-ide) (CID 54611926) is iron(4+);tetrakis(piperidin-1-ide).
What is the SMILES notation for iron(4+);tetrakis(piperidin-1-ide)?
The canonical SMILES for iron(4+);tetrakis(piperidin-1-ide) is C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.[Fe+4].
What is the InChIKey of iron(4+);tetrakis(piperidin-1-ide)?
The InChIKey is NCQVIAZVAKTLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H10N.Fe/c4*1-2-4-6-5-3-1;/h4*1-5H2;/q4*-1;+4.
What are the key properties of iron(4+);tetrakis(piperidin-1-ide)?
iron(4+);tetrakis(piperidin-1-ide) has a molecular weight of 392.41 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron(4+);tetrakis(piperidin-1-ide) is sourced from PubChem (CID 54611926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).